(E)-4-methyl-1-(3-nitrophenyl)-4-phenylsulfanyl-2-phosphonato-pent-1-en-3-one

Systemtic Name: (E)-4-methyl-1-(3-nitrophenyl)-4-phenylsulfanyl-2-phosphonato-pent-1-en-3-one Openeye Name: (E)-4-methyl-1-(3-nitrophenyl)-4-phenylsulfanyl-2-phosphonato-pent-1-en-3-one CAS Name: (E)-4-methyl-1-(3-nitrophenyl)-4-(phenylthio)-2-phosphonato-1-penten-3-one IUPAC Name: (E)-4-methyl-1-(3-nitrophenyl)-4-phenylsulfanyl-2-phosphonatopent-1-en-3-one Traditional Name: (E)-4-methyl-1-(3-nitrophenyl)-4-(phenylthio)-2-phosphonato-pent-1-en-3-one Formula: C18H16NO6PS-2 MolecularWeight: 405.361501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])P(=O)([O-])[O-])SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/P(=O)([O-])[O-])SC2=CC=CC=C2

InChI

InChI=1S/C18H18NO6PS/c1-18(2,27-15-9-4-3-5-10-15)17(20)16(26(23,24)25)12-13-7-6-8-14(11-13)19(21)22/h3-12H,1-2H3,(H2,23,24,25)/p-2/b16-12+